1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-(4-nitrophenyl)urea Openeye Name: 1-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea CAS Name: 1-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea Traditional Name: 1-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-2-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(=C2)C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2)C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-10-2-3-11-9-15(26-14(11)8-10)16(22)19-20-17(23)18-12-4-6-13(7-5-12)21(24)25/h4-7,9-10H,2-3,8H2,1H3,(H,19,22)(H2,18,20,23)