3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide

Systemtic Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide Openeye Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide CAS Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]propanamide IUPAC Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide Traditional Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-[(4-nitrophenyl)thiocarbamoylamino]propionamide Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)NCC#N)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)NCC#N)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S2/c21-9-10-22-19(26)17(11-13-12-30-18-4-2-1-3-16(13)18)24-20(29)23-14-5-7-15(8-6-14)25(27)28/h1-8,12,17H,10-11H2,(H,22,26)(H2,23,24,29)