1-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-phenylthiourea IUPAC Name: 1-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-3-phenylthiourea Traditional Name: 1-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-3-phenyl-thiourea Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O3S/c17-13-8-6-11(10-14(13)21(23)24)7-9-15(22)19-20-16(25)18-12-4-2-1-3-5-12/h1-10H,(H,19,22)(H2,18,20,25)/b9-7+