3-phenylpropyl 5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C29H29N3O3S2 MolecularWeight: 531.68886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)CCCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)CCCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O3S2/c1-20-12-17-24-25(19-20)37-28(31-24)22-13-15-23(16-14-22)30-29(36)32-26(33)10-5-11-27(34)35-18-6-9-21-7-3-2-4-8-21/h2-4,7-8,12-17,19H,5-6,9-11,18H2,1H3,(H2,30,32,33,36)