4-azanyl-N5-cyclohexyl-N5-[1-(1H-indol-3-yl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-cyclohexyl-N5-[1-(1H-indol-3-yl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-1-(1H-indol-3-yl)-2-oxo-ethyl]-N5-cyclohexyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-cyclohexyl-N5-[1-(1H-indol-3-yl)-2-oxo-2-[(phenylmethyl)amino]ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(benzylamino)-1-(1H-indol-3-yl)-2-oxoethyl]-5-N-cyclohexyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-1-(1H-indol-3-yl)-2-keto-ethyl]-N'-cyclohexyl-isothiazole-3,5-dicarboxamide Formula: C28H30N6O3S MolecularWeight: 530.6412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C(C2=CNC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

Isomeric SMILES

C1CCC(CC1)N(C(C2=CNC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

InChI

InChI=1S/C28H30N6O3S/c29-22-23(26(30)35)33-38-25(22)28(37)34(18-11-5-2-6-12-18)24(20-16-31-21-14-8-7-13-19(20)21)27(36)32-15-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,16,18,24,31H,2,5-6,11-12,15,29H2,(H2,30,35)(H,32,36)