5-chloranyl-N-[(3R)-1-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-sulfanylidene-pyrrolidin-3-yl]thiophene-2-carbothioamide

Systemtic Name: 5-chloranyl-N-[(3R)-1-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-sulfanylidene-pyrrolidin-3-yl]thiophene-2-carbothioamide Openeye Name: 5-chloro-N-[(3R)-1-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-thioxo-pyrrolidin-3-yl]thiophene-2-carbothioamide CAS Name: 5-chloro-N-[(3R)-1-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-sulfanylidene-3-pyrrolidinyl]-2-thiophenecarbothioamide IUPAC Name: 5-chloro-N-[(3R)-1-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-sulfanylidenepyrrolidin-3-yl]thiophene-2-carbothioamide Traditional Name: 5-chloro-N-[(3R)-1-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-thioxo-pyrrolidin-3-yl]thiophene-2-carbothioamide Formula: C21H24ClN3S3 MolecularWeight: 450.08336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(CC1)C=C(C=C2)N3CC(CC3=S)NC(=S)C4=CC=C(S4)Cl

Isomeric SMILES

CCN1CCC2=C(CC1)C=C(C=C2)N3C[C@@H](CC3=S)NC(=S)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H24ClN3S3/c1-2-24-9-7-14-3-4-17(11-15(14)8-10-24)25-13-16(12-20(25)26)23-21(27)18-5-6-19(22)28-18/h3-6,11,16H,2,7-10,12-13H2,1H3,(H,23,27)/t16-/m1/s1