2-[[4-[3-(2-diethylaminoethyl)-2-oxidanylidene-benzimidazol-1-yl]piperidin-1-yl]carbothioylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[3-(2-diethylaminoethyl)-2-oxidanylidene-benzimidazol-1-yl]piperidin-1-yl]carbothioylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[3-(2-diethylaminoethyl)-2-oxo-benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[3-(2-diethylaminoethyl)-2-oxo-1-benzimidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[3-(2-diethylaminoethyl)-2-oxobenzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[3-(2-diethylaminoethyl)-2-keto-benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenyl-propionic acid Formula: C28H37N5O3S MolecularWeight: 523.69008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H37N5O3S/c1-3-30(4-2)18-19-32-24-12-8-9-13-25(24)33(28(32)36)22-14-16-31(17-15-22)27(37)29-23(26(34)35)20-21-10-6-5-7-11-21/h5-13,22-23H,3-4,14-20H2,1-2H3,(H,29,37)(H,34,35)