1-ethyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzotriazole-5-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-benzotriazolecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-ethyl-benzotriazole-5-carboxamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CC=C5)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CC=C5)N=N1

InChI

InChI=1S/C25H25N5O2S/c1-2-30-20-13-12-17(14-19(20)28-29-30)23(31)27-25-22(18-10-6-7-11-21(18)33-25)24(32)26-15-16-8-4-3-5-9-16/h3-5,8-9,12-14H,2,6-7,10-11,15H2,1H3,(H,26,32)(H,27,31)