1-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylamino]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylamino]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)amino]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[[[2,3-dimethyl-1-(phenylmethyl)-5-indolyl]-oxomethyl]amino]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[(1-benzyl-2,3-dimethylindole-5-carbonyl)amino]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)amino]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NNC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NNC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N5O4S/c1-16-17(2)30(15-18-7-5-4-6-8-18)23-12-9-19(13-21(16)23)25(32)28-29-26(36)27-22-11-10-20(31(33)34)14-24(22)35-3/h4-14H,15H2,1-3H3,(H,28,32)(H2,27,29,36)