N-[1-[[(E,2R)-5-(2-dimethylaminoethylamino)-5-oxidanylidene-1-phenyl-pent-3-en-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[[(E,2R)-5-(2-dimethylaminoethylamino)-5-oxidanylidene-1-phenyl-pent-3-en-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(E,1R)-1-benzyl-4-(2-dimethylaminoethylamino)-4-oxo-but-2-enyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide CAS Name: N-[1-[[[(E,2R)-5-(2-dimethylaminoethylamino)-5-oxo-1-phenylpent-3-en-2-yl]amino]-oxomethyl]cyclopentyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[[(E,2R)-5-(2-dimethylaminoethylamino)-5-oxo-1-phenylpent-3-en-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(E,1R)-1-benzyl-4-(2-dimethylaminoethylamino)-4-keto-but-2-enyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide Formula: C30H36N4O3S MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C=CC(CC1=CC=CC=C1)NC(=O)C2(CCCC2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CN(C)CCNC(=O)/C=C/[C@@H](CC1=CC=CC=C1)NC(=O)C2(CCCC2)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C30H36N4O3S/c1-34(2)19-18-31-27(35)15-14-24(20-22-10-4-3-5-11-22)32-29(37)30(16-8-9-17-30)33-28(36)26-21-23-12-6-7-13-25(23)38-26/h3-7,10-15,21,24H,8-9,16-20H2,1-2H3,(H,31,35)(H,32,37)(H,33,36)/b15-14+/t24-/m0/s1