methyl N-[[3-[(3-azanylidenethiophen-2-yl)methyl]-4-(phenylcarbonyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[3-[(3-azanylidenethiophen-2-yl)methyl]-4-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-benzoyl-3-[(3-imino-2-thienyl)methyl]phenyl]carbamothioyl]carbamate CAS Name: N-[[4-benzoyl-3-[(3-imino-2-thiophenyl)methyl]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-benzoyl-3-[(3-iminothiophen-2-yl)methyl]phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-benzoyl-3-[(3-imino-2-thienyl)methyl]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)CC3C(=N)C=CS3

Isomeric SMILES

COC(=O)NC(=S)NC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)CC3C(=N)C=CS3

InChI

InChI=1S/C21H19N3O3S2/c1-27-21(26)24-20(28)23-15-7-8-16(19(25)13-5-3-2-4-6-13)14(11-15)12-18-17(22)9-10-29-18/h2-11,18,22H,12H2,1H3,(H2,23,24,26,28)