1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-naphthalen-2-yl-thiourea

Systemtic Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-naphthalen-2-yl-thiourea Openeye Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-(2-naphthyl)thiourea CAS Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-(2-naphthalenyl)thiourea IUPAC Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-naphthalen-2-ylthiourea Traditional Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)acryloyl]amino]-3-(2-naphthyl)thiourea Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=S)NNC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=S)NNC(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H15N5O3S/c22-13-17(10-14-4-3-7-19(11-14)26(28)29)20(27)24-25-21(30)23-18-9-8-15-5-1-2-6-16(15)12-18/h1-12H,(H,24,27)(H2,23,25,30)/b17-10+