1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]-3-(4-nitrophenyl)urea Openeye Name: 1-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-3-(4-nitrophenyl)urea CAS Name: 1-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(4-nitrophenyl)urea Traditional Name: 1-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-3-(4-nitrophenyl)urea Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-10-2-7-13-14(9-26-15(13)8-10)16(22)19-20-17(23)18-11-3-5-12(6-4-11)21(24)25/h3-6,9-10H,2,7-8H2,1H3,(H,19,22)(H2,18,20,23)