methyl 4-[[(Z)-[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(Z)-[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(Z)-(1-benzyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]butanoate CAS Name: 4-[[[(2Z)-2-[2-oxo-1-(phenylmethyl)-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-(1-benzyl-2-oxoindol-3-ylidene)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(Z)-(1-benzyl-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NN=C1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-28-18(26)12-7-13-22-21(29)24-23-19-16-10-5-6-11-17(16)25(20(19)27)14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H2,22,24,29)/b23-19-