1-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]-3-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]-3-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]-3-(2-thienylmethyl)thiourea CAS Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]-3-(2-thenyl)thiourea Formula: C20H21N5O4S3 MolecularWeight: 491.60684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NCC3=CC=CS3)C

InChI

InChI=1S/C20H21N5O4S3/c1-13-5-7-17(14(2)10-13)24-32(28,29)19-11-15(25(26)27)6-8-18(19)22-23-20(30)21-12-16-4-3-9-31-16/h3-11,22,24H,12H2,1-2H3,(H2,21,23,30)