1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(1-phenylethyl)thiourea

Systemtic Name: 1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(1-phenylethyl)thiourea Openeye Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(1-phenylethyl)thiourea CAS Name: 1-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(1-phenylethyl)thiourea IUPAC Name: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(1-phenylethyl)thiourea Traditional Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(1-phenylethyl)thiourea Formula: C18H15ClN4O3S2 MolecularWeight: 434.9197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O3S2/c1-10(11-5-3-2-4-6-11)20-18(27)22-21-17(24)16-15(19)13-8-7-12(23(25)26)9-14(13)28-16/h2-10H,1H3,(H,21,24)(H2,20,22,27)