1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-p-cumenyl-thiourea Formula: C19H17ClN4O3S2 MolecularWeight: 448.94628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O3S2/c1-10(2)11-3-5-12(6-4-11)21-19(28)23-22-18(25)17-16(20)14-8-7-13(24(26)27)9-15(14)29-17/h3-10H,1-2H3,(H,22,25)(H2,21,23,28)