methyl 4-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-[(4-methoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C20H23N3O4S/c1-26-17-11-9-15(10-12-17)22-19(25)14-5-7-16(8-6-14)23-20(28)21-13-3-4-18(24)27-2/h5-12H,3-4,13H2,1-2H3,(H,22,25)(H2,21,23,28)