4-oxidanylidene-2-[(phenylmethyl)amino]-4-[[3-(prop-2-enylcarbamothioylamino)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-2-[(phenylmethyl)amino]-4-[[3-(prop-2-enylcarbamothioylamino)phenyl]amino]butanoic acid Openeye Name: 4-[3-(allylcarbamothioylamino)anilino]-2-(benzylamino)-4-oxo-butanoic acid CAS Name: 4-oxo-2-[(phenylmethyl)amino]-4-[3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]anilino]butanoic acid IUPAC Name: 2-(benzylamino)-4-oxo-4-[3-(prop-2-enylcarbamothioylamino)anilino]butanoic acid Traditional Name: 4-[3-(allylthiocarbamoylamino)anilino]-2-(benzylamino)-4-keto-butyric acid Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=CC(=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=S)NC1=CC=CC(=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H24N4O3S/c1-2-11-22-21(29)25-17-10-6-9-16(12-17)24-19(26)13-18(20(27)28)23-14-15-7-4-3-5-8-15/h2-10,12,18,23H,1,11,13-14H2,(H,24,26)(H,27,28)(H2,22,25,29)