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

Systemtic Name: propyl N-[[4-phenylsulfanyl-2-(propoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: propyl N-[[4-phenylsulfanyl-2-(propoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[[[oxo(propoxy)methyl]amino]-sulfanylidenemethyl]amino]-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid propyl ester IUPAC Name: propyl N-[[4-phenylsulfanyl-2-(propoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(phenylthio)-2-(propoxycarbonylthiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid propyl ester Formula: C22H26N4O4S3 MolecularWeight: 506.66124

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=S)NC(=O)OCCC

Isomeric SMILES

CCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=S)NC(=O)OCCC

InChI

InChI=1S/C22H26N4O4S3/c1-3-12-29-21(27)25-19(31)23-17-11-10-16(33-15-8-6-5-7-9-15)14-18(17)24-20(32)26-22(28)30-13-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,23,25,27,31)(H2,24,26,28,32)