propyl N-[[2-(propoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate

Systemtic Name: propyl N-[[2-(propoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate Openeye Name: propyl N-[[2-(propoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[[[oxo(propoxy)methyl]amino]-sulfanylidenemethyl]amino]-4-thiocyanatoanilino]-sulfanylidenemethyl]carbamic acid propyl ester IUPAC Name: propyl N-[[2-(propoxycarbonylcarbamothioylamino)-4-thiocyanatophenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(propoxycarbonylthiocarbamoylamino)-4-thiocyanato-phenyl]thiocarbamoyl]carbamic acid propyl ester Formula: C17H21N5O4S3 MolecularWeight: 455.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)NC(=S)NC(=O)OCCC

Isomeric SMILES

CCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)NC(=S)NC(=O)OCCC

InChI

InChI=1S/C17H21N5O4S3/c1-3-7-25-16(23)21-14(27)19-12-6-5-11(29-10-18)9-13(12)20-15(28)22-17(24)26-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H2,19,21,23,27)(H2,20,22,24,28)